(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate

C20H13NO5 — CID 5062983

IUPAC(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H13NO5/c22-18(12-25-15-10-9-13-5-1-2-6-14(13)11-15)26-21-19(23)16-7-3-4-8-17(16)20(21)24/h1-11H,12H2
InChIKeyPBIFDMAFIWFZAS-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.97
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate

(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate (PubChem CID 5062983) has the molecular formula C20H13NO5 and a molecular weight of 347.33 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate
PubChem CID5062983
Molecular FormulaC20H13NO5
Molecular Weight347.33 g/mol
Exact Mass347.08
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H13NO5/c22-18(12-25-15-10-9-13-5-1-2-6-14(13)11-15)26-21-19(23)16-7-3-4-8-17(16)20(21)24/h1-11H,12H2
InChIKeyPBIFDMAFIWFZAS-UHFFFAOYSA-N
XLogP2.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
2-bromoethyl 2-naphthalen-2-yloxyacetate
CID 22163309
(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate
CID 122221274
[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 170058298
2-naphthalen-2-yloxyethanethioamide
CID 7454258
2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
CID 170920036
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
3-methyl-4-naphthalen-2-yloxybut-2-enoic acid
CID 77005452
3,3-dimethylbutan-2-yl 2-naphthalen-2-yloxyacetate
CID 86034979
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
(1,3-dioxoisoindol-2-yl)methyl 2-(3,4-dimethylphenoxy)acetate
CID 3502927

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate (CID 5062983) is (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate is O=C(COc1ccc2ccccc2c1)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate?
The InChIKey is PBIFDMAFIWFZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5/c22-18(12-25-15-10-9-13-5-1-2-6-14(13)11-15)26-21-19(23)16-7-3-4-8-17(16)20(21)24/h1-11H,12H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate?
(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate has a molecular weight of 347.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 5062983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).